4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 5-nitro-4-(4-piperonylpiperazino)-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C25H28N8O4 MolecularWeight: 504.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC(=C4[N+](=O)[O-])N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC(=C4[N+](=O)[O-])N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C25H28N8O4/c34-33(35)23-24(27-17-28-25(23)32-13-11-30(12-14-32)22-3-1-2-6-26-22)31-9-7-29(8-10-31)16-19-4-5-20-21(15-19)37-18-36-20/h1-6,15,17H,7-14,16,18H2